N-{3-[(5-methylpyridin-2-yl)amino]propyl}-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 705705
• Molecular Formular: C23H23N5O
• Molecular Mass: 385.46162
• Monoisotopic Mass: 385.19026038
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NCCCNc1ncc(cc1)C
• Canonical SMILES: Cc1ccc(nc1)NCCCNC(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C23H23N5O/c1-17-8-10-21(26-14-17)24-12-5-13-25-23(29)19-9-11-22-27-20(16-28(22)15-19)18-6-3-2-4-7-18/h2-4,6-11,14-16H,5,12-13H2,1H3,(H,24,26)(H,25,29)
• InChIKey: SJOJITQXBOJTDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(5-methylpyridin-2-yl)amino]propyl}-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-{3-[(5-methylpyridin-2-yl)amino]propyl}-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-{3-[(5-methylpyridin-2-yl)amino]propyl}-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.243352
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6810844
• LogD (pH = 7.4): 2.9415305
• Log P: 3.0916066
• Molar Refractivity: 117.0217 cm^3
• Polarizability: 44.216473 Å^3
• Polar Surface Area: 71.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.5
• LOG S: -5.0
• Polar Surface Area: 71.32 Å^2
• Rotatable Bonds: 7